LAMMPS (5 Oct 2016)
Processor partition = 1
Lattice spacing in x,y,z = 5.431 5.431 5.431
Created orthogonal box = (0 0 0) to (21.724 21.724 21.724)
  1 by 1 by 2 MPI processor grid
Created 512 atoms
512 atoms in group Si
1 atoms in group del
Deleted 1 atoms, new total = 511
Reading potential file Si.sw with DATE: 2007-06-11
Neighbor list info ...
  1 neighbor list requests
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.77118
  ghost atom cutoff = 4.77118
  binsize = 2.38559, bins = 10 10 10
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Memory usage per processor = 2.39553 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0    1802.5039    -2211.666            0   -2092.8401    12351.692 
      10    996.01982   -2158.3093            0    -2092.649    14285.475 
      20    590.09928   -2131.1531            0   -2092.2521    12113.964 
      30      1033.01   -2159.2522            0   -2091.1534    6860.4116 
      40    724.76581    -2137.281            0   -2089.5025    5999.4372 
      50    489.66604   -2120.8082            0   -2088.5281    6403.4234 
      60    960.70653   -2150.7394            0    -2087.407     5687.324 
      70    908.41498   -2145.7665            0   -2085.8813    8220.9655 
      80    796.82286   -2137.1227            0   -2084.5941    11307.153 
      90    1245.9045   -2164.9841            0   -2082.8507    11282.071 
     100    1083.0647   -2152.0805            0    -2080.682    12015.018 
Loop time of 0.140224 on 2 procs for 100 steps with 511 atoms

Performance: 61.615 ns/day, 0.390 hours/ns, 713.142 timesteps/s
99.8% CPU use with 2 MPI tasks x no OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.12625    | 0.13121    | 0.13617    |   1.4 | 93.57
Neigh   | 0.00081992 | 0.00083506 | 0.0008502  |   0.1 |  0.60
Comm    | 0.0017614  | 0.0067089  | 0.011656   |   6.0 |  4.78
Output  | 0.0001514  | 0.00015473 | 0.00015807 |   0.0 |  0.11
Modify  | 0.00098729 | 0.001008   | 0.0010288  |   0.1 |  0.72
Other   |            | 0.000308   |            |       |  0.22

Nlocal:    255.5 ave 260 max 251 min
Histogram: 1 0 0 0 0 0 0 0 0 1
Nghost:    742.5 ave 747 max 738 min
Histogram: 1 0 0 0 0 0 0 0 0 1
Neighs:    0 ave 0 max 0 min
Histogram: 2 0 0 0 0 0 0 0 0 0
FullNghs:  6998 ave 7131 max 6865 min
Histogram: 1 0 0 0 0 0 0 0 0 1

Total # of neighbors = 13996
Ave neighs/atom = 27.3894
Neighbor list builds = 2
Dangerous builds = 0
WARNING: Resetting reneighboring criteria during PRD (../prd.cpp:216)
Neighbor list info ...
  2 neighbor list requests
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.77118
  ghost atom cutoff = 4.77118
  binsize = 2.38559, bins = 10 10 10
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 5.95803 Mbytes
Step Temp PotEng c_pe Press v_press 
     100    1083.0647   -2152.0805   -2152.0805    12015.018   -12015.018 
     110    1083.0647   -2211.4354   -2211.4354     7410.368    -7410.368 
     114    1083.0647   -2211.6275   -2211.6275    7404.1637   -7404.1637 
Loop time of 0.0180018 on 2 procs for 14 steps with 511 atoms

100.0% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 100
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     100    1083.0647   -2152.0805   -2152.0805    12015.018   -12015.018 
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 100
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     100         1800   -2152.0805   -2152.0805    16938.978   -16938.978 
     110    1407.2016   -2123.5336   -2123.5336    16792.855   -16792.855 
Loop time of 0.0149345 on 2 procs for 10 steps with 511 atoms

100.4% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     110    1407.2016   -2123.5336   -2123.5336    16792.855   -16792.855 
     120    1407.2016   -2211.3883   -2211.3883    9671.0828   -9671.0828 
     125    1407.2016   -2211.6353   -2211.6353     9638.283    -9638.283 
Loop time of 0.0186025 on 2 procs for 15 steps with 511 atoms

96.7% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 110
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     110         1800   -2123.5336   -2123.5336    19490.621   -19490.621 
     120    1739.8594   -2117.1376   -2117.1376    18703.472   -18703.472 
Loop time of 0.0152161 on 2 procs for 10 steps with 511 atoms

98.6% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     120    1739.8594   -2117.1376   -2117.1376    18703.472   -18703.472 
     130    1739.8594   -2212.4068   -2212.4068    8627.9775   -8627.9775 
     137    1739.8594    -2213.296    -2213.296    8562.6334   -8562.6334 
Loop time of 0.0216031 on 2 procs for 17 steps with 511 atoms

99.5% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 110
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     110         1800   -2123.5336   -2123.5336    19490.621   -19490.621 
     120    1676.4339   -2113.3214   -2113.3214    19357.152   -19357.152 
Loop time of 0.01507 on 2 procs for 10 steps with 511 atoms

99.5% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     120    1676.4339   -2113.3214   -2113.3214    19357.152   -19357.152 
     130    1676.4339   -2211.3222   -2211.3222    11503.079   -11503.079 
     135    1676.4339   -2211.6285   -2211.6285     11484.34    -11484.34 
Loop time of 0.0195661 on 2 procs for 15 steps with 511 atoms

99.6% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 120
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     120         1800   -2113.3214   -2113.3214    20205.812   -20205.812 
     130    1767.1431   -2109.2421   -2109.2421    19570.363   -19570.363 
Loop time of 0.0150051 on 2 procs for 10 steps with 511 atoms

100.0% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     130    1767.1431   -2109.2421   -2109.2421    19570.363   -19570.363 
     140    1767.1431   -2211.2751   -2211.2751    12109.276   -12109.276 
     145    1767.1431   -2211.6261   -2211.6261    12101.876   -12101.876 
Loop time of 0.0190896 on 2 procs for 15 steps with 511 atoms

96.9% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 130
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     130         1800   -2109.2421   -2109.2421    19796.026   -19796.026 
     140    1780.3794   -2106.1802   -2106.1802     19441.79    -19441.79 
Loop time of 0.0151706 on 2 procs for 10 steps with 511 atoms

98.9% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     140    1780.3794   -2106.1802   -2106.1802     19441.79    -19441.79 
     150    1780.3794    -2211.318    -2211.318    12207.989   -12207.989 
     155    1780.3794   -2211.6309   -2211.6309    12192.911   -12192.911 
Loop time of 0.0192345 on 2 procs for 15 steps with 511 atoms

98.8% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 140
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     140         1800   -2106.1802   -2106.1802    19576.546   -19576.546 
     150    1746.5229    -2101.023    -2101.023    18905.445   -18905.445 
Loop time of 0.0156021 on 2 procs for 10 steps with 511 atoms

99.3% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     150    1746.5229    -2101.023    -2101.023    18905.445   -18905.445 
     160    1746.5229   -2211.2683   -2211.2683    11946.852   -11946.852 
     165    1746.5229   -2211.6271   -2211.6271    11966.501   -11966.501 
Loop time of 0.019259 on 2 procs for 15 steps with 511 atoms

98.6% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 150
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     150         1800    -2101.023    -2101.023     19272.73    -19272.73 
     160    1799.6137   -2099.4291   -2099.4291    19995.515   -19995.515 
Loop time of 0.0163164 on 2 procs for 10 steps with 511 atoms

98.0% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     160    1799.6137   -2099.4291   -2099.4291    19995.515   -19995.515 
     170    1799.6137   -2211.3073   -2211.3073    12309.831   -12309.831 
     175    1799.6137   -2211.6296   -2211.6296    12324.169   -12324.169 
Loop time of 0.0191171 on 2 procs for 15 steps with 511 atoms

96.8% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 160
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     160         1800   -2099.4291   -2099.4291    19998.167   -19998.167 
     170    1795.6449   -2097.6594   -2097.6594     19583.84    -19583.84 
Loop time of 0.0165169 on 2 procs for 10 steps with 511 atoms

99.9% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     170    1795.6449   -2097.6594   -2097.6594     19583.84    -19583.84 
     180    1795.6449   -2211.2532   -2211.2532    12284.651   -12284.651 
     186    1795.6449   -2211.6401   -2211.6401    12295.446   -12295.446 
Loop time of 0.0203519 on 2 procs for 16 steps with 511 atoms

98.3% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 170
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     170         1800   -2097.6594   -2097.6594    19613.751   -19613.751 
     180    1804.5796   -2096.5323   -2096.5323    19081.334   -19081.334 
Loop time of 0.016068 on 2 procs for 10 steps with 511 atoms

99.6% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     180    1804.5796   -2096.5323   -2096.5323    19081.334   -19081.334 
     190    1804.5796   -2211.1956   -2211.1956    12345.615   -12345.615 
     196    1804.5796   -2211.6375   -2211.6375    12355.583   -12355.583 
Loop time of 0.0203216 on 2 procs for 16 steps with 511 atoms

95.9% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 180
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     180         1800   -2096.5323   -2096.5323    19049.881   -19049.881 
     190    1813.2897   -2096.0443   -2096.0443    18844.421   -18844.421 
Loop time of 0.0160251 on 2 procs for 10 steps with 511 atoms

99.8% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     190    1813.2897   -2096.0443   -2096.0443    18844.421   -18844.421 
     200    1813.2897   -2211.1872   -2211.1872     12416.74    -12416.74 
     205    1813.2897   -2211.6183   -2211.6183    12408.872   -12408.872 
Loop time of 0.0186031 on 2 procs for 15 steps with 511 atoms

99.4% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 190
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     190         1800   -2096.0443   -2096.0443    18753.147   -18753.147 
     200     1729.795   -2090.1248   -2090.1248     19011.48    -19011.48 
Loop time of 0.0162675 on 2 procs for 10 steps with 511 atoms

98.3% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     200     1729.795   -2090.1248   -2090.1248     19011.48    -19011.48 
     216     1729.795   -2211.6385   -2211.6385    11843.785   -11843.785 
Loop time of 0.019449 on 2 procs for 16 steps with 511 atoms

97.7% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 100
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     100     1729.795   -2090.1248   -2090.1248     19011.48    -19011.48 
     110      1831.27   -2095.5272   -2095.5272    17676.566   -17676.566 
     120    1810.4817   -2092.8651   -2092.8651     16360.26    -16360.26 
     130    1642.2751   -2080.5879   -2080.5879    15745.256   -15745.256 
     140      1700.98   -2083.2166   -2083.2166    13916.989   -13916.989 
     150    1777.7546   -2086.8791   -2086.8791    13352.583   -13352.583 
     160    1718.1749   -2081.5431   -2081.5431    14366.375   -14366.375 
     170    1767.1296   -2083.3696   -2083.3696    14125.895   -14125.895 
     180     1883.072   -2089.5629   -2089.5629    14337.497   -14337.497 
     190     1833.024   -2084.9187   -2084.9187     15182.01    -15182.01 
     200    1836.5326    -2083.942    -2083.942    15524.675   -15524.675 
Loop time of 0.16324 on 2 procs for 100 steps with 511 atoms

99.8% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     200    1836.5326    -2083.942    -2083.942    15524.675   -15524.675 
     217    1836.5326   -2213.3066   -2213.3066    9227.8712   -9227.8712 
Loop time of 0.0224469 on 2 procs for 17 steps with 511 atoms

102.4% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 200
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     200    1836.5326    -2083.942    -2083.942    15524.675   -15524.675 
     210    1909.6039   -2087.6329   -2087.6329    15133.724   -15133.724 
     220    1825.9505   -2081.1108   -2081.1108    14932.959   -14932.959 
     230    1810.4665   -2079.2025   -2079.2025    15410.209   -15410.209 
     240    1871.6829   -2082.3771   -2082.3771     15392.27    -15392.27 
     250    1791.3773   -2076.2876   -2076.2876    15063.506   -15063.506 
     260    1784.1987   -2075.0577   -2075.0577    14819.036   -14819.036 
     270    1943.8082   -2084.8184   -2084.8184    15061.372   -15061.372 
     280    1897.9349    -2081.151    -2081.151    15152.508   -15152.508 
     290    1740.1879   -2070.2571   -2070.2571     15387.48    -15387.48 
     300    1840.8826   -2076.3958   -2076.3958    14533.579   -14533.579 
Loop time of 0.168437 on 2 procs for 100 steps with 511 atoms

99.1% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     300    1840.8826   -2076.3958   -2076.3958    14533.579   -14533.579 
     317    1840.8826   -2213.3062   -2213.3062    9257.3838   -9257.3838 
Loop time of 0.0243695 on 2 procs for 17 steps with 511 atoms

98.5% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 300
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     300    1840.8826   -2076.3958   -2076.3958    14533.579   -14533.579 
     310     1960.999   -2083.8351   -2083.8351    13835.648   -13835.648 
     320    1827.6467   -2074.7191   -2074.7191    14533.243   -14533.243 
     330    1839.8855   -2075.2936   -2075.2936     14190.05    -14190.05 
     340    1958.8799   -2082.9805   -2082.9805    15031.903   -15031.903 
     350    1887.2419   -2078.2548   -2078.2548    15501.348   -15501.348 
     360    1869.1123   -2077.2136   -2077.2136    15754.073   -15754.073 
     370    1874.2242   -2077.7919   -2077.7919    15890.497   -15890.497 
     380    1918.0246   -2081.0374   -2081.0374    15821.278   -15821.278 
     390    1989.2729   -2086.2936   -2086.2936    16037.305   -16037.305 
     400    1909.9347   -2081.8654   -2081.8654    15848.055   -15848.055 
Loop time of 0.166078 on 2 procs for 100 steps with 511 atoms

99.6% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     400    1909.9347   -2081.8654   -2081.8654    15848.055   -15848.055 
     417    1909.9347   -2213.3028   -2213.3028    9729.8124   -9729.8124 
Loop time of 0.023206 on 2 procs for 17 steps with 511 atoms

103.4% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 400
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     400    1909.9347   -2081.8654   -2081.8654    15848.055   -15848.055 
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 400
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     400         1800   -2081.8654   -2081.8654    15093.016   -15093.016 
     410    1864.7704   -2087.0088   -2087.0088    15065.726   -15065.726 
Loop time of 0.0163159 on 2 procs for 10 steps with 511 atoms

98.0% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     410    1864.7704   -2087.0088   -2087.0088    15065.726   -15065.726 
     427    1864.7704   -2213.3045   -2213.3045    9422.5848   -9422.5848 
Loop time of 0.0227466 on 2 procs for 17 steps with 511 atoms

103.3% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 410
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     410         1800   -2087.0088   -2087.0088    14620.879   -14620.879 
     420    1847.0559   -2091.0214   -2091.0214    14509.121   -14509.121 
Loop time of 0.0161581 on 2 procs for 10 steps with 511 atoms

105.2% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     420    1847.0559   -2091.0214   -2091.0214    14509.121   -14509.121 
     437    1847.0559    -2213.301    -2213.301     9297.437    -9297.437 
Loop time of 0.0225631 on 2 procs for 17 steps with 511 atoms

101.9% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 420
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     420         1800   -2091.0214   -2091.0214    14185.938   -14185.938 
     430    1734.6218   -2087.5695   -2087.5695     13746.73    -13746.73 
Loop time of 0.016171 on 2 procs for 10 steps with 511 atoms

98.9% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     430    1734.6218   -2087.5695   -2087.5695     13746.73    -13746.73 
     448    1734.6218   -2213.3139   -2213.3139    8528.3177   -8528.3177 
Loop time of 0.0230296 on 2 procs for 18 steps with 511 atoms

99.9% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 430
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     430         1800   -2087.5695   -2087.5695    14195.752   -14195.752 
     440    1762.3737   -2085.8966   -2085.8966    13666.566   -13666.566 
Loop time of 0.016203 on 2 procs for 10 steps with 511 atoms

98.7% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     440    1762.3737   -2085.8966   -2085.8966    13666.566   -13666.566 
     458    1762.3737   -2213.3164   -2213.3164     8719.155    -8719.155 
Loop time of 0.023499 on 2 procs for 18 steps with 511 atoms

97.9% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 440
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     440         1800   -2085.8966   -2085.8966    13924.986   -13924.986 
     450    1826.3133   -2088.4372   -2088.4372    13251.504   -13251.504 
Loop time of 0.016156 on 2 procs for 10 steps with 511 atoms

102.1% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     450    1826.3133   -2088.4372   -2088.4372    13251.504   -13251.504 
     468    1826.3133   -2213.3161   -2213.3161    9156.4467   -9156.4467 
Loop time of 0.0237422 on 2 procs for 18 steps with 511 atoms

99.0% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 450
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     450         1800   -2088.4372   -2088.4372    13070.782   -13070.782 
     460    1715.5367   -2083.6266   -2083.6266    12817.275   -12817.275 
Loop time of 0.0163156 on 2 procs for 10 steps with 511 atoms

101.1% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     460    1715.5367   -2083.6266   -2083.6266    12817.275   -12817.275 
     477    1715.5367   -2213.3091   -2213.3091    8397.9452   -8397.9452 
Loop time of 0.0227876 on 2 procs for 17 steps with 511 atoms

98.7% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 460
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     460         1800   -2083.6266   -2083.6266    13397.375   -13397.375 
     470    1845.2632   -2087.3849   -2087.3849    13016.928   -13016.928 
Loop time of 0.0159991 on 2 procs for 10 steps with 511 atoms

96.9% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     470    1845.2632   -2087.3849   -2087.3849    13016.928   -13016.928 
     488    1845.2632   -2213.3158   -2213.3158     9287.188    -9287.188 
Loop time of 0.023653 on 2 procs for 18 steps with 511 atoms

103.6% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 470
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     470         1800   -2087.3849   -2087.3849    12706.058   -12706.058 
     480    1767.5613   -2086.0057   -2086.0057    12461.902   -12461.902 
Loop time of 0.0159111 on 2 procs for 10 steps with 511 atoms

100.5% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     480    1767.5613   -2086.0057   -2086.0057    12461.902   -12461.902 
     497    1767.5613   -2213.3019   -2213.3019    8752.5633   -8752.5633 
Loop time of 0.0230539 on 2 procs for 17 steps with 511 atoms

99.8% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 480
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     480         1800   -2086.0057   -2086.0057    12684.693   -12684.693 
     490    1728.5749   -2081.9885   -2081.9885    12829.859   -12829.859 
Loop time of 0.015859 on 2 procs for 10 steps with 511 atoms

100.9% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     490    1728.5749   -2081.9885   -2081.9885    12829.859   -12829.859 
     507    1728.5749   -2213.3014   -2213.3014    8485.7495   -8485.7495 
Loop time of 0.0232804 on 2 procs for 17 steps with 511 atoms

98.8% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 490
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     490         1800   -2081.9885   -2081.9885    13320.411   -13320.411 
     500     1891.138   -2088.7374   -2088.7374    12386.297   -12386.297 
Loop time of 0.0158896 on 2 procs for 10 steps with 511 atoms

100.7% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     500     1891.138   -2088.7374   -2088.7374    12386.297   -12386.297 
     517     1891.138   -2213.3005   -2213.3005    9605.3107   -9605.3107 
Loop time of 0.0225859 on 2 procs for 17 steps with 511 atoms

99.6% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 400
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     400     1891.138   -2088.7374   -2088.7374    12386.297   -12386.297 
     410    1773.0967   -2081.7528   -2081.7528    12268.785   -12268.785 
     420    1665.0224   -2075.3222   -2075.3222    11812.774   -11812.774 
     430     1782.442   -2083.6485   -2083.6485    10625.081   -10625.081 
     440    1757.4851   -2082.5466   -2082.5466    9963.5329   -9963.5329 
     450     1689.562   -2078.5148   -2078.5148     11062.09    -11062.09 
     460    1845.6561   -2089.1933   -2089.1933    12574.483   -12574.483 
     470    1822.0509   -2088.0578   -2088.0578    12830.328   -12830.328 
     480    1705.1513   -2080.7503   -2080.7503    13567.308   -13567.308 
     490    1869.8595   -2091.9679   -2091.9679    13839.486   -13839.486 
     500    1933.0389   -2096.6039   -2096.6039    14231.015   -14231.015 
Loop time of 0.164507 on 2 procs for 100 steps with 511 atoms

99.7% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     500    1933.0389   -2096.6039   -2096.6039    14231.015   -14231.015 
     517    1933.0389    -2213.315    -2213.315    9887.6185   -9887.6185 
Loop time of 0.0234082 on 2 procs for 17 steps with 511 atoms

102.5% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 500
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     500    1933.0389   -2088.9106   -2088.9106    15154.438   -15154.438 
     510    1830.7134    -2082.768    -2082.768    15279.574   -15279.574 
     520     1864.403   -2085.6688   -2085.6688    13831.378   -13831.378 
     530    1847.8361   -2085.3472   -2085.3472    12304.827   -12304.827 
     540    1680.4873   -2075.0597   -2075.0597    12165.862   -12165.862 
     550    1668.0044   -2074.8249   -2074.8249    11016.786   -11016.786 
     560    1740.3092   -2080.0486   -2080.0486    10105.198   -10105.198 
     570    1701.7356   -2077.8553   -2077.8553    11109.954   -11109.954 
     580    1722.8657   -2079.4914   -2079.4914    12116.463   -12116.463 
     590    1811.5465   -2085.5005   -2085.5005    13406.884   -13406.884 
     600    1880.4257   -2090.2274   -2090.2274    14426.745   -14426.745 
Loop time of 0.161342 on 2 procs for 100 steps with 511 atoms

100.1% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     600    1880.4257   -2090.2274   -2090.2274    14426.745   -14426.745 
     617    1880.4257   -2213.3076   -2213.3076    9530.6422   -9530.6422 
Loop time of 0.0228729 on 2 procs for 17 steps with 511 atoms

100.5% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 600
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     600    1880.4257   -2090.2274   -2090.2274    14426.745   -14426.745 
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 600
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     600         1800   -2085.8105   -2085.8105    13260.091   -13260.091 
     610    1779.0739    -2084.642    -2084.642    13566.665   -13566.665 
Loop time of 0.0154223 on 2 procs for 10 steps with 511 atoms

100.5% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     610    1779.0739    -2084.642    -2084.642    13566.665   -13566.665 
     627    1779.0739   -2213.3028   -2213.3028    8837.0481   -8837.0481 
Loop time of 0.0224001 on 2 procs for 17 steps with 511 atoms

100.4% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 610
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     610         1800    -2084.642    -2084.642    13710.387   -13710.387 
     620    1873.2685   -2089.7057   -2089.7057    14011.757   -14011.757 
Loop time of 0.0155458 on 2 procs for 10 steps with 511 atoms

99.7% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     620    1873.2685   -2089.7057   -2089.7057    14011.757   -14011.757 
     637    1873.2685    -2213.298    -2213.298    9482.1704   -9482.1704 
Loop time of 0.0221825 on 2 procs for 17 steps with 511 atoms

99.2% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 620
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     620         1800   -2089.7057   -2089.7057    13508.544   -13508.544 
     630    1770.5193   -2088.0067   -2088.0067    14809.812   -14809.812 
Loop time of 0.0155749 on 2 procs for 10 steps with 511 atoms

99.5% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     630    1770.5193   -2088.0067   -2088.0067    14809.812   -14809.812 
     647    1770.5193   -2213.3067   -2213.3067    8776.5917   -8776.5917 
Loop time of 0.0237025 on 2 procs for 17 steps with 511 atoms

101.2% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 630
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     630         1800   -2088.0067   -2088.0067    15012.287   -15012.287 
     640    1753.1865   -2085.1316   -2085.1316     15420.17    -15420.17 
Loop time of 0.015646 on 2 procs for 10 steps with 511 atoms

102.2% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     640    1753.1865   -2085.1316   -2085.1316     15420.17    -15420.17 
     656    1753.1865   -2213.2932   -2213.2932    8655.2954   -8655.2954 
Loop time of 0.021533 on 2 procs for 16 steps with 511 atoms

99.8% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 640
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     640         1800   -2085.1316   -2085.1316    15741.688   -15741.688 
     650    1851.5744   -2088.7359   -2088.7359     15127.84    -15127.84 
Loop time of 0.0158114 on 2 procs for 10 steps with 511 atoms

98.0% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     650    1851.5744   -2088.7359   -2088.7359     15127.84    -15127.84 
     666    1851.5744   -2213.2954   -2213.2954    9329.5338   -9329.5338 
Loop time of 0.0216684 on 2 procs for 16 steps with 511 atoms

99.2% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 650
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     650         1800   -2088.7359   -2088.7359    14773.623   -14773.623 
     660    1808.1123   -2089.4878   -2089.4878     15030.51    -15030.51 
Loop time of 0.0161059 on 2 procs for 10 steps with 511 atoms

99.3% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     660    1808.1123   -2089.4878   -2089.4878     15030.51    -15030.51 
     677    1808.1123    -2213.308    -2213.308    9036.3682   -9036.3682 
Loop time of 0.0236025 on 2 procs for 17 steps with 511 atoms

97.4% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 660
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     660         1800   -2089.4878   -2089.4878    14974.794   -14974.794 
     670    1863.6138   -2093.9193   -2093.9193    14916.355   -14916.355 
Loop time of 0.0160654 on 2 procs for 10 steps with 511 atoms

99.6% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     670    1863.6138   -2093.9193   -2093.9193    14916.355   -14916.355 
     687    1863.6138   -2213.3079   -2213.3079    9417.8578   -9417.8578 
Loop time of 0.0235889 on 2 procs for 17 steps with 511 atoms

99.6% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 670
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     670         1800   -2093.9193   -2093.9193    14479.451   -14479.451 
     680    1788.6782   -2093.4379   -2093.4379    14765.795   -14765.795 
Loop time of 0.0161046 on 2 procs for 10 steps with 511 atoms

99.3% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     680    1788.6782   -2093.4379   -2093.4379    14765.795   -14765.795 
     696    1788.6782   -2213.2918   -2213.2918    8900.4524   -8900.4524 
Loop time of 0.0223596 on 2 procs for 16 steps with 511 atoms

98.4% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 680
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     680         1800   -2093.4379   -2093.4379    14843.554   -14843.554 
     690    1770.1871   -2091.7205   -2091.7205    13840.679   -13840.679 
Loop time of 0.0163729 on 2 procs for 10 steps with 511 atoms

97.7% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     690    1770.1871   -2091.7205   -2091.7205    13840.679   -13840.679 
     707    1770.1871   -2213.3059   -2213.3059    8771.7717   -8771.7717 
Loop time of 0.0236784 on 2 procs for 17 steps with 511 atoms

99.2% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 690
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     690         1800   -2091.7205   -2091.7205    14045.437   -14045.437 
     700    1767.5706   -2089.8124   -2089.8124    13796.838   -13796.838 
Loop time of 0.0169075 on 2 procs for 10 steps with 511 atoms

100.5% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     700    1767.5706   -2089.8124   -2089.8124    13796.838   -13796.838 
     717    1767.5706   -2213.3045   -2213.3045    8754.3739   -8754.3739 
Loop time of 0.0235596 on 2 procs for 17 steps with 511 atoms

101.9% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 600
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     600    1767.5706   -2089.8124   -2089.8124    13796.838   -13796.838 
     610    1788.1384   -2091.3678   -2091.3678    12906.865   -12906.865 
     620    1743.9969   -2088.6393   -2088.6393    11596.605   -11596.605 
     630    1652.6533   -2082.6976   -2082.6976    11092.624   -11092.624 
     640    1732.9219   -2087.9437   -2087.9437    10507.634   -10507.634 
     650    1679.3355   -2084.2348   -2084.2348    11280.869   -11280.869 
     660    1611.7341   -2079.4483   -2079.4483    11881.743   -11881.743 
     670    1803.1935   -2091.5571   -2091.5571    12630.587   -12630.587 
     680     1834.674    -2093.021    -2093.021     13500.71    -13500.71 
     690    1690.9447   -2082.9537   -2082.9537    13775.138   -13775.138 
     700    1820.0293   -2090.8186   -2090.8186    13130.501   -13130.501 
Loop time of 0.167828 on 2 procs for 100 steps with 511 atoms

100.1% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     700    1820.0293   -2090.8186   -2090.8186    13130.501   -13130.501 
     717    1820.0293   -2213.3066   -2213.3066    9113.8976   -9113.8976 
Loop time of 0.021929 on 2 procs for 17 steps with 511 atoms

98.0% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 700
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     700    1820.0293   -2090.8186   -2090.8186    13130.501   -13130.501 
     710    1841.8131   -2091.5482   -2091.5482    13130.858   -13130.858 
     720     1725.675   -2083.2407   -2083.2407    13823.221   -13823.221 
     730    1754.3244   -2084.4385   -2084.4385    13374.878   -13374.878 
     740    1848.0129   -2089.8537   -2089.8537    12903.231   -12903.231 
     750    1753.3731   -2082.8613   -2082.8613    13673.663   -13673.663 
     760     1783.327   -2084.0985   -2084.0985    13369.536   -13369.536 
     770    1885.1545   -2090.0395   -2090.0395     12836.19    -12836.19 
     780    1770.3649   -2081.7626   -2081.7626    11757.722   -11757.722 
     790    1754.3666    -2080.047    -2080.047    11580.453   -11580.453 
     800    1771.6498   -2080.4662   -2080.4662    11388.669   -11388.669 
Loop time of 0.164738 on 2 procs for 100 steps with 511 atoms

99.2% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     800    1771.6498   -2080.4662   -2080.4662    11388.669   -11388.669 
     817    1771.6498   -2213.2995   -2213.2995    8782.1017   -8782.1017 
Loop time of 0.0231171 on 2 procs for 17 steps with 511 atoms

99.5% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 800
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     800    1771.6498   -2082.6513   -2082.6513    12006.899   -12006.899 
     810    1736.4023   -2079.5663   -2079.5663    12815.123   -12815.123 
     820    1857.5885   -2086.7635   -2086.7635    12397.382   -12397.382 
     830    1839.0047   -2084.7587   -2084.7587    13117.804   -13117.804 
     840    1780.8765    -2080.238    -2080.238    14341.053   -14341.053 
     850    1858.5996   -2084.6881   -2084.6881    13551.872   -13551.872 
     860    1926.1114   -2088.5302   -2088.5302    12919.549   -12919.549 
     870    1790.0978   -2079.0916   -2079.0916    13001.975   -13001.975 
     880    1759.1888   -2076.6279   -2076.6279    12195.191   -12195.191 
     890    1832.2093   -2080.9836   -2080.9836    11659.889   -11659.889 
     900    1747.1163    -2074.902    -2074.902    11587.628   -11587.628 
Loop time of 0.171727 on 2 procs for 100 steps with 511 atoms

100.1% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     900    1747.1163    -2074.902    -2074.902    11587.628   -11587.628 
     918    1747.1163   -2213.3043   -2213.3043    8613.9502   -8613.9502 
Loop time of 0.0237255 on 2 procs for 18 steps with 511 atoms

101.1% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 900
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     900    1747.1163    -2074.902    -2074.902    11587.628   -11587.628 
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 900
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     900         1800   -2078.5784   -2078.5784    12957.229   -12957.229 
     910    1908.7048    -2085.301    -2085.301    12281.463   -12281.463 
Loop time of 0.0161626 on 2 procs for 10 steps with 511 atoms

95.9% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     910    1908.7048    -2085.301    -2085.301    12281.463   -12281.463 
     927    1908.7048   -2213.2978   -2213.2978    9725.1916   -9725.1916 
Loop time of 0.022961 on 2 procs for 17 steps with 511 atoms

102.3% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 910
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     910         1800    -2085.301    -2085.301    11534.871   -11534.871 
     920    1774.7027   -2083.2357   -2083.2357    11097.876   -11097.876 
Loop time of 0.0163095 on 2 procs for 10 steps with 511 atoms

101.2% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     920    1774.7027   -2083.2357   -2083.2357    11097.876   -11097.876 
     937    1774.7027   -2213.2973   -2213.2973    8805.4812   -8805.4812 
Loop time of 0.022063 on 2 procs for 17 steps with 511 atoms

102.0% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 920
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     920         1800   -2083.2357   -2083.2357    11271.619   -11271.619 
     930    1766.0612   -2080.5832   -2080.5832    11417.688   -11417.688 
Loop time of 0.0157199 on 2 procs for 10 steps with 511 atoms

98.6% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     930    1766.0612   -2080.5832   -2080.5832    11417.688   -11417.688 
     948    1766.0612    -2213.311    -2213.311    8744.1641   -8744.1641 
Loop time of 0.0233965 on 2 procs for 18 steps with 511 atoms

102.6% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 930
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     930         1800   -2080.5832   -2080.5832    11650.782   -11650.782 
     940    1912.5851   -2087.6092   -2087.6092    11589.366   -11589.366 
Loop time of 0.016058 on 2 procs for 10 steps with 511 atoms

102.7% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     940    1912.5851   -2087.6092   -2087.6092    11589.366   -11589.366 
     957    1912.5851   -2213.3055   -2213.3055     9749.755    -9749.755 
Loop time of 0.0230191 on 2 procs for 17 steps with 511 atoms

99.9% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 940
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     940         1800   -2087.6092   -2087.6092    10816.124   -10816.124 
     950    1755.8094     -2084.33     -2084.33    11831.713   -11831.713 
Loop time of 0.016109 on 2 procs for 10 steps with 511 atoms

99.3% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     950    1755.8094     -2084.33     -2084.33    11831.713   -11831.713 
     967    1755.8094   -2213.3089   -2213.3089    8675.7388   -8675.7388 
Loop time of 0.02212 on 2 procs for 17 steps with 511 atoms

101.7% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 950
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     950         1800     -2084.33     -2084.33    12135.217   -12135.217 
     960    1782.2936   -2082.7711   -2082.7711    11733.657   -11733.657 
Loop time of 0.0160496 on 2 procs for 10 steps with 511 atoms

99.7% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     960    1782.2936   -2082.7711   -2082.7711    11733.657   -11733.657 
     978    1782.2936   -2213.3155   -2213.3155    8854.0315   -8854.0315 
Loop time of 0.0235994 on 2 procs for 18 steps with 511 atoms

101.7% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 960
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     960         1800   -2082.7711   -2082.7711    11855.266   -11855.266 
     970    1762.4747   -2079.8722   -2079.8722    11474.135   -11474.135 
Loop time of 0.0163536 on 2 procs for 10 steps with 511 atoms

100.9% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     970    1762.4747   -2079.8722   -2079.8722    11474.135   -11474.135 
     988    1762.4747   -2213.3124   -2213.3124      8720.25     -8720.25 
Loop time of 0.0243011 on 2 procs for 18 steps with 511 atoms

100.8% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 970
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     970         1800   -2079.8722   -2079.8722    11731.862   -11731.862 
     980    1880.3067   -2084.7208   -2084.7208    12677.172   -12677.172 
Loop time of 0.016263 on 2 procs for 10 steps with 511 atoms

98.4% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     980    1880.3067   -2084.7208   -2084.7208    12677.172   -12677.172 
     997    1880.3067     -2213.31     -2213.31    9531.4404   -9531.4404 
Loop time of 0.0227261 on 2 procs for 17 steps with 511 atoms

99.0% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 980
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     980         1800   -2084.7208   -2084.7208     12125.62    -12125.62 
     990    1723.7713   -2079.2551   -2079.2551    12302.453   -12302.453 
Loop time of 0.0159 on 2 procs for 10 steps with 511 atoms

100.6% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
     990    1723.7713   -2079.2551   -2079.2551    12302.453   -12302.453 
    1007    1723.7713   -2213.2996   -2213.2996    8454.1149   -8454.1149 
Loop time of 0.0229723 on 2 procs for 17 steps with 511 atoms

102.3% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 990
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     990         1800   -2079.2551   -2079.2551    12825.997   -12825.997 
    1000    1847.7229   -2081.9222   -2081.9222    12957.736   -12957.736 
Loop time of 0.0160503 on 2 procs for 10 steps with 511 atoms

99.7% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    1000    1847.7229   -2081.9222   -2081.9222    12957.736   -12957.736 
    1017    1847.7229   -2213.3063   -2213.3063    9309.0063   -9309.0063 
Loop time of 0.0229845 on 2 procs for 17 steps with 511 atoms

97.9% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 900
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
     900    1847.7229   -2081.9222   -2081.9222    12957.736   -12957.736 
     910    1905.7366    -2085.281    -2085.281    13167.441   -13167.441 
     920    1891.4535   -2083.9949   -2083.9949    13589.993   -13589.993 
     930    1821.6913   -2079.1457   -2079.1457    14290.592   -14290.592 
     940    1905.7302   -2084.4983   -2084.4983     13067.97    -13067.97 
     950    1935.0351    -2086.375    -2086.375     12487.45    -12487.45 
     960    1708.4752   -2071.4825   -2071.4825    12375.449   -12375.449 
     970    1791.4179   -2076.9711   -2076.9711    10896.223   -10896.223 
     980    1911.4025   -2084.8937   -2084.8937    11343.506   -11343.506 
     990    1745.7067   -2074.0508   -2074.0508    12534.315   -12534.315 
    1000    1762.9922   -2075.2681   -2075.2681     11917.56    -11917.56 
Loop time of 0.160233 on 2 procs for 100 steps with 511 atoms

99.8% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    1000    1762.9922   -2075.2681   -2075.2681     11917.56    -11917.56 
    1018    1762.9922   -2213.3102   -2213.3102    8725.5481   -8725.5481 
Loop time of 0.0248601 on 2 procs for 18 steps with 511 atoms

98.5% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 1000
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    1000    1762.9922   -2084.4584   -2084.4584    12777.643   -12777.643 
    1010    1825.1931   -2088.5876   -2088.5876    12619.004   -12619.004 
    1020     1829.595   -2088.9293   -2088.9293    11998.019   -11998.019 
    1030    1778.5327   -2085.6552   -2085.6552    11966.215   -11966.215 
    1040    1737.4837   -2083.0349   -2083.0349    11994.144   -11994.144 
    1050    1699.3134   -2080.5132   -2080.5132    11690.917   -11690.917 
    1060    1749.3335   -2083.7105   -2083.7105    10939.727   -10939.727 
    1070    1677.8755   -2078.7617   -2078.7617     11432.06    -11432.06 
    1080    1730.3297   -2081.8193   -2081.8193    11654.812   -11654.812 
    1090    1880.0485   -2091.1202   -2091.1202    12095.103   -12095.103 
    1100    1844.0832   -2088.1365   -2088.1365    13143.118   -13143.118 
Loop time of 0.162997 on 2 procs for 100 steps with 511 atoms

100.0% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    1100    1844.0832   -2088.1365   -2088.1365    13143.118   -13143.118 
    1117    1844.0832   -2213.3069   -2213.3069    9282.6658   -9282.6658 
Loop time of 0.0228956 on 2 procs for 17 steps with 511 atoms

98.3% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 1100
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    1100    1844.0832   -2088.1365   -2088.1365    13143.118   -13143.118 
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 1100
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    1100         1800   -2077.4466   -2077.4466     12374.68    -12374.68 
    1110    1794.3288   -2076.4679   -2076.4679    13450.511   -13450.511 
Loop time of 0.0164354 on 2 procs for 10 steps with 511 atoms

97.3% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    1110    1794.3288   -2076.4679   -2076.4679    13450.511   -13450.511 
    1129    1794.3288   -2213.3091   -2213.3091     8940.536    -8940.536 
Loop time of 0.0252564 on 2 procs for 19 steps with 511 atoms

99.0% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 1110
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    1110         1800   -2076.4679   -2076.4679    13489.461   -13489.461 
    1120    1788.3721   -2075.0221   -2075.0221    13009.449   -13009.449 
Loop time of 0.0165751 on 2 procs for 10 steps with 511 atoms

102.5% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    1120    1788.3721   -2075.0221   -2075.0221    13009.449   -13009.449 
    1138    1788.3721   -2213.3054   -2213.3054    8898.3926   -8898.3926 
Loop time of 0.0235075 on 2 procs for 18 steps with 511 atoms

100.0% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 1120
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    1120         1800   -2075.0221   -2075.0221     13089.31    -13089.31 
    1130    1856.4475   -2077.9978   -2077.9978    11851.549   -11851.549 
Loop time of 0.016431 on 2 procs for 10 steps with 511 atoms

100.4% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    1130    1856.4475   -2077.9978   -2077.9978    11851.549   -11851.549 
    1149    1856.4475    -2213.315    -2213.315    9368.9769   -9368.9769 
Loop time of 0.026377 on 2 procs for 19 steps with 511 atoms

100.5% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 1130
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    1130         1800   -2077.9978   -2077.9978    11463.864   -11463.864 
    1140    1855.1642   -2080.8639   -2080.8639    12606.289   -12606.289 
Loop time of 0.016052 on 2 procs for 10 steps with 511 atoms

102.8% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    1140    1855.1642   -2080.8639   -2080.8639    12606.289   -12606.289 
    1158    1855.1642   -2213.2941   -2213.2941    9347.2687   -9347.2687 
Loop time of 0.0239896 on 2 procs for 18 steps with 511 atoms

102.1% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 1140
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    1140         1800   -2080.8639   -2080.8639    12227.418   -12227.418 
    1150    1754.1769   -2077.0391   -2077.0391    12898.982   -12898.982 
Loop time of 0.0159996 on 2 procs for 10 steps with 511 atoms

100.0% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    1150    1754.1769   -2077.0391   -2077.0391    12898.982   -12898.982 
    1172    1754.1769   -2213.2904   -2213.2904    8655.0917   -8655.0917 
Loop time of 0.029557 on 2 procs for 22 steps with 511 atoms

98.1% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 1140
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    1140         1800   -2080.8639   -2080.8639    12227.418   -12227.418 
    1150    1753.8414   -2076.9412   -2076.9412    11701.088   -11701.088 
Loop time of 0.0159409 on 2 procs for 10 steps with 511 atoms

103.5% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    1150    1753.8414   -2076.9412   -2076.9412    11701.088   -11701.088 
    1168    1753.8414   -2213.3136   -2213.3136    8661.2896   -8661.2896 
Loop time of 0.0231894 on 2 procs for 18 steps with 511 atoms

101.3% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 1150
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    1150         1800   -2076.9412   -2076.9412    12018.108   -12018.108 
    1160    1797.7268   -2075.8409   -2075.8409    12196.235   -12196.235 
Loop time of 0.016089 on 2 procs for 10 steps with 511 atoms

99.4% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    1160    1797.7268   -2075.8409   -2075.8409    12196.235   -12196.235 
    1178    1797.7268   -2213.3065   -2213.3065    8964.5013   -8964.5013 
Loop time of 0.0234134 on 2 procs for 18 steps with 511 atoms

98.2% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 1160
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    1160         1800   -2075.8409   -2075.8409    12211.847   -12211.847 
    1170     1910.303    -2082.144    -2082.144    13529.404   -13529.404 
Loop time of 0.01633 on 2 procs for 10 steps with 511 atoms

98.0% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    1170     1910.303    -2082.144    -2082.144    13529.404   -13529.404 
    1188     1910.303   -2213.3042   -2213.3042    9733.1104   -9733.1104 
Loop time of 0.0237131 on 2 procs for 18 steps with 511 atoms

99.1% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 1170
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    1170         1800    -2082.144    -2082.144    12771.836   -12771.836 
    1180    1807.6278   -2081.7394   -2081.7394    11821.393   -11821.393 
Loop time of 0.0164459 on 2 procs for 10 steps with 511 atoms

100.3% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    1180    1807.6278   -2081.7394   -2081.7394    11821.393   -11821.393 
    1198    1807.6278   -2213.3074   -2213.3074    9030.6138   -9030.6138 
Loop time of 0.0225091 on 2 procs for 18 steps with 511 atoms

102.2% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 1180
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    1180         1800   -2081.7394   -2081.7394    11769.005   -11769.005 
    1190    1807.6912   -2081.3402   -2081.3402    12029.101   -12029.101 
Loop time of 0.0159824 on 2 procs for 10 steps with 511 atoms

100.1% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    1190    1807.6912   -2081.3402   -2081.3402    12029.101   -12029.101 
    1208    1807.6912   -2213.3068   -2213.3068    9028.9158   -9028.9158 
Loop time of 0.023844 on 2 procs for 18 steps with 511 atoms

98.5% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 1190
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    1190         1800   -2081.3402   -2081.3402    11976.277   -11976.277 
    1200     1772.405   -2078.6293   -2078.6293    11504.588   -11504.588 
Loop time of 0.016094 on 2 procs for 10 steps with 511 atoms

99.4% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    1200     1772.405   -2078.6293   -2078.6293    11504.588   -11504.588 
    1218     1772.405   -2213.3045   -2213.3045    8788.2922   -8788.2922 
Loop time of 0.0236485 on 2 procs for 18 steps with 511 atoms

99.4% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 1100
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    1100     1772.405   -2078.6293   -2078.6293    11504.588   -11504.588 
    1110    1841.4504   -2082.3004   -2082.3004    11835.557   -11835.557 
    1120     1807.742   -2079.2374   -2079.2374    12821.498   -12821.498 
    1130     1790.642   -2077.3454   -2077.3454    13749.128   -13749.128 
    1140    1900.0418   -2083.8296   -2083.8296    13949.327   -13949.327 
    1150    1890.2384   -2082.5759   -2082.5759    13709.691   -13709.691 
    1160    1807.0303   -2076.6399   -2076.6399    12536.323   -12536.323 
    1170    1798.8502     -2075.71     -2075.71    12400.989   -12400.989 
    1180    1837.9004   -2077.9128   -2077.9128    12473.398   -12473.398 
    1190    1840.7383   -2077.7693   -2077.7693    12605.625   -12605.625 
    1200     1914.287   -2082.3787   -2082.3787     12904.92    -12904.92 
Loop time of 0.162902 on 2 procs for 100 steps with 511 atoms

99.7% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    1200     1914.287   -2082.3787   -2082.3787     12904.92    -12904.92 
    1217     1914.287   -2213.3177   -2213.3177      9761.94     -9761.94 
Loop time of 0.0226021 on 2 procs for 17 steps with 511 atoms

101.7% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 1200
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    1200     1914.287   -2074.1482   -2074.1482    11505.917   -11505.917 
    1210    1826.9103   -2068.2472   -2068.2472      11079.5     -11079.5 
    1220     1870.997   -2071.0969   -2071.0969    11222.603   -11222.603 
    1230    1890.9297   -2072.4369   -2072.4369    11466.599   -11466.599 
    1240    1870.3433   -2071.2176   -2071.2176    11404.919   -11404.919 
    1250    1910.8982   -2074.1595   -2074.1595    11072.432   -11072.432 
    1260    1834.3742   -2069.5042   -2069.5042    10584.129   -10584.129 
    1270    1793.6144   -2067.2562   -2067.2562    12031.506   -12031.506 
    1280    1901.5756   -2074.8648   -2074.8648     11896.27    -11896.27 
    1290    1965.3902   -2079.7594   -2079.7594      11425.6     -11425.6 
    1300    1895.3333   -2076.0534   -2076.0534    12322.239   -12322.239 
Loop time of 0.169423 on 2 procs for 100 steps with 511 atoms

100.0% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    1300    1895.3333   -2076.0534   -2076.0534    12322.239   -12322.239 
    1317    1895.3333   -2213.3039   -2213.3039    9628.1103   -9628.1103 
Loop time of 0.0235851 on 2 procs for 17 steps with 511 atoms

101.7% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 1300
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    1300    1895.3333   -2068.9959   -2068.9959    11397.731   -11397.731 
    1310    2008.3102   -2077.6466   -2077.6466    11821.038   -11821.038 
    1320    1918.6513   -2073.2415   -2073.2415    10521.308   -10521.308 
    1330    1810.4244   -2067.6511   -2067.6511    10340.407   -10340.407 
    1340    1896.3917   -2074.8412   -2074.8412     9010.375    -9010.375 
    1350     1799.271   -2069.8641   -2069.8641    8936.0179   -8936.0179 
    1360     1689.595   -2063.7014   -2063.7014    10980.423   -10980.423 
    1370    1836.3874    -2074.171    -2074.171      11195.4     -11195.4 
    1380    1845.2701    -2075.395    -2075.395    10331.317   -10331.317 
    1390    1878.5464   -2078.1238   -2078.1238    11915.087   -11915.087 
    1400    2058.1602   -2090.5677   -2090.5677    11865.763   -11865.763 
Loop time of 0.167177 on 2 procs for 100 steps with 511 atoms

99.9% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    1400    2058.1602   -2090.5677   -2090.5677    11865.763   -11865.763 
    1417    2058.1602   -2213.2846   -2213.2846    10753.332   -10753.332 
Loop time of 0.0228987 on 2 procs for 17 steps with 511 atoms

100.4% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 1400
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    1400    2058.1602   -2090.5677   -2090.5677    11865.763   -11865.763 
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 1400
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    1400         1800   -2073.6269   -2073.6269    11064.044   -11064.044 
    1410    1827.9341   -2076.0048   -2076.0048    11091.717   -11091.717 
Loop time of 0.0160646 on 2 procs for 10 steps with 511 atoms

99.6% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    1410    1827.9341   -2076.0048   -2076.0048    11091.717   -11091.717 
    1427    1827.9341   -2213.3006   -2213.3006    9169.3452   -9169.3452 
Loop time of 0.0236095 on 2 procs for 17 steps with 511 atoms

99.5% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 1410
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    1410         1800   -2076.0048   -2076.0048    10899.863   -10899.863 
    1420    1826.4372   -2078.2126   -2078.2126    11205.832   -11205.832 
Loop time of 0.0160301 on 2 procs for 10 steps with 511 atoms

99.8% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    1420    1826.4372   -2078.2126   -2078.2126    11205.832   -11205.832 
    1437    1826.4372   -2213.3007   -2213.3007    9159.7965   -9159.7965 
Loop time of 0.0221051 on 2 procs for 17 steps with 511 atoms

99.5% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 1420
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    1420         1800   -2078.2126   -2078.2126    11024.259   -11024.259 
    1430    1759.3512   -2075.9084   -2075.9084    11824.146   -11824.146 
Loop time of 0.0161622 on 2 procs for 10 steps with 511 atoms

102.1% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    1430    1759.3512   -2075.9084   -2075.9084    11824.146   -11824.146 
    1447    1759.3512      -2213.3      -2213.3    8704.4413   -8704.4413 
Loop time of 0.0225326 on 2 procs for 17 steps with 511 atoms

102.1% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 1430
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    1430         1800   -2075.9084   -2075.9084    12103.324   -12103.324 
    1440    1874.7141   -2081.2001   -2081.2001    12071.563   -12071.563 
Loop time of 0.0162454 on 2 procs for 10 steps with 511 atoms

98.5% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    1440    1874.7141   -2081.2001   -2081.2001    12071.563   -12071.563 
    1458    1874.7141   -2213.3151   -2213.3151    9489.1719   -9489.1719 
Loop time of 0.0235379 on 2 procs for 18 steps with 511 atoms

95.6% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 1440
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    1440         1800   -2081.2001   -2081.2001    11558.421   -11558.421 
    1450    1707.8783   -2075.4411   -2075.4411    11922.325   -11922.325 
Loop time of 0.016546 on 2 procs for 10 steps with 511 atoms

93.7% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    1450    1707.8783   -2075.4411   -2075.4411    11922.325   -11922.325 
    1467    1707.8783   -2213.3064   -2213.3064    8345.7821   -8345.7821 
Loop time of 0.0228117 on 2 procs for 17 steps with 511 atoms

98.6% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 1450
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    1450         1800   -2075.4411   -2075.4411    12555.023   -12555.023 
    1460    1804.5585    -2076.001    -2076.001    12948.752   -12948.752 
Loop time of 0.0164845 on 2 procs for 10 steps with 511 atoms

100.1% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    1460    1804.5585    -2076.001    -2076.001    12948.752   -12948.752 
    1477    1804.5585   -2213.3083   -2213.3083    9010.9224   -9010.9224 
Loop time of 0.0232245 on 2 procs for 17 steps with 511 atoms

99.0% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 1460
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    1460         1800    -2076.001    -2076.001    12917.444   -12917.444 
    1470    1769.9141   -2074.2381   -2074.2381    11725.762   -11725.762 
Loop time of 0.016185 on 2 procs for 10 steps with 511 atoms

95.8% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    1470    1769.9141   -2074.2381   -2074.2381    11725.762   -11725.762 
    1488    1769.9141   -2213.3065   -2213.3065    8771.6996   -8771.6996 
Loop time of 0.0246665 on 2 procs for 18 steps with 511 atoms

101.3% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 1470
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    1470         1800   -2074.2381   -2074.2381    11932.394   -11932.394 
    1480    1877.0657   -2079.5479   -2079.5479    12641.694   -12641.694 
Loop time of 0.0162176 on 2 procs for 10 steps with 511 atoms

101.7% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    1480    1877.0657   -2079.5479   -2079.5479    12641.694   -12641.694 
    1498    1877.0657   -2213.3155   -2213.3155    9507.9339   -9507.9339 
Loop time of 0.0243585 on 2 procs for 18 steps with 511 atoms

98.5% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 1480
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    1480         1800   -2079.5479   -2079.5479    12112.401   -12112.401 
    1490    1740.4531   -2075.8361   -2075.8361    12143.035   -12143.035 
Loop time of 0.0165451 on 2 procs for 10 steps with 511 atoms

96.7% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    1490    1740.4531   -2075.8361   -2075.8361    12143.035   -12143.035 
    1507    1740.4531   -2213.3013   -2213.3013     8568.745    -8568.745 
Loop time of 0.0241785 on 2 procs for 17 steps with 511 atoms

99.2% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 1490
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    1490         1800   -2075.8361   -2075.8361    12552.007   -12552.007 
    1500    1865.5056   -2080.3772   -2080.3772    12596.993   -12596.993 
Loop time of 0.0167425 on 2 procs for 10 steps with 511 atoms

98.5% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    1500    1865.5056   -2080.3772   -2080.3772    12596.993   -12596.993 
    1518    1865.5056    -2213.317    -2213.317    9426.9106   -9426.9106 
Loop time of 0.0252526 on 2 procs for 18 steps with 511 atoms

101.0% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 1400
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    1400    1865.5056   -2080.3772   -2080.3772    12596.993   -12596.993 
    1410    1860.7576   -2080.3607   -2080.3607    12871.936   -12871.936 
    1420     1832.087   -2078.8394   -2078.8394     12751.02    -12751.02 
    1430    1884.2614   -2082.7284   -2082.7284    12273.634   -12273.634 
    1440    1885.4169    -2083.361    -2083.361    12252.741   -12252.741 
    1450    1892.5004   -2084.5295   -2084.5295    13153.785   -13153.785 
    1460    1817.6516   -2080.4012   -2080.4012    12574.267   -12574.267 
    1470    1732.8609   -2075.5882   -2075.5882    12036.884   -12036.884 
    1480    1794.6837   -2080.3923   -2080.3923     11799.95    -11799.95 
    1490    1798.6926   -2081.3741   -2081.3741    12222.274   -12222.274 
    1500     1735.077   -2077.8535   -2077.8535    11959.591   -11959.591 
Loop time of 0.16826 on 2 procs for 100 steps with 511 atoms

99.8% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    1500     1735.077   -2077.8535   -2077.8535    11959.591   -11959.591 
    1517     1735.077   -2213.3068   -2213.3068    8531.9697   -8531.9697 
Loop time of 0.022454 on 2 procs for 17 steps with 511 atoms

100.2% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 1500
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    1500     1735.077   -2077.8535   -2077.8535    11959.591   -11959.591 
    1510    1781.9543   -2081.5528   -2081.5528     11209.46    -11209.46 
    1520    1811.6404   -2084.0969   -2084.0969    11520.154   -11520.154 
    1530    1777.1272   -2082.3927   -2082.3927     11899.76    -11899.76 
    1540    1828.2296    -2086.329    -2086.329    12380.972   -12380.972 
    1550    1834.4926    -2087.336    -2087.336    13595.858   -13595.858 
    1560     1820.193   -2087.0253   -2087.0253    13581.578   -13581.578 
    1570    1829.8364   -2088.3227   -2088.3227    13165.912   -13165.912 
    1580     1808.763   -2087.6197   -2087.6197     13171.18    -13171.18 
    1590    1773.8614   -2085.9923   -2085.9923    12595.436   -12595.436 
    1600    1771.0175   -2086.4398   -2086.4398    11929.008   -11929.008 
Loop time of 0.166124 on 2 procs for 100 steps with 511 atoms

99.9% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    1600    1771.0175   -2086.4398   -2086.4398    11929.008   -11929.008 
    1618    1771.0175   -2213.3032   -2213.3032    8776.8174   -8776.8174 
Loop time of 0.0237586 on 2 procs for 18 steps with 511 atoms

98.9% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 1600
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    1600    1771.0175   -2086.4398   -2086.4398    11929.008   -11929.008 
    1610    1702.1013   -2082.4611   -2082.4611    11070.701   -11070.701 
    1620    1592.7725   -2075.6422   -2075.6422    10771.358   -10771.358 
    1630    1665.4565   -2080.6048   -2080.6048    10807.061   -10807.061 
    1640    1779.2665   -2088.1265   -2088.1265    12226.866   -12226.866 
    1650    1773.7316   -2087.7192   -2087.7192    12864.134   -12864.134 
    1660     1810.932   -2090.1186   -2090.1186    13244.821   -13244.821 
    1670    1785.2262   -2088.3648   -2088.3648     14001.42    -14001.42 
    1680    1772.6277   -2087.4539   -2087.4539    13279.288   -13279.288 
    1690     1835.326   -2091.4833   -2091.4833    11730.777   -11730.777 
    1700    1827.5837   -2090.8956   -2090.8956     11320.78    -11320.78 
Loop time of 0.162481 on 2 procs for 100 steps with 511 atoms

99.7% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    1700    1827.5837   -2090.8956   -2090.8956     11320.78    -11320.78 
    1717    1827.5837   -2213.2966   -2213.2966    9165.6418   -9165.6418 
Loop time of 0.0225496 on 2 procs for 17 steps with 511 atoms

99.8% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 1700
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    1700    1827.5837   -2090.8956   -2090.8956     11320.78    -11320.78 
    1710    1702.0318   -2082.5525   -2082.5525    11915.626   -11915.626 
    1720    1610.6771   -2076.3337   -2076.3337    12203.515   -12203.515 
    1730    1745.2594   -2084.7859   -2084.7859    11324.009   -11324.009 
    1740    1766.7723   -2085.5572   -2085.5572    10887.393   -10887.393 
    1750    1733.1392    -2082.523    -2082.523    12191.635   -12191.635 
    1760     1811.122   -2086.6172   -2086.6172    12579.699   -12579.699 
    1770    1797.8303   -2084.4496   -2084.4496    12993.991   -12993.991 
    1780    1854.8082   -2086.7481   -2086.7481    13687.174   -13687.174 
    1790    1906.1518   -2088.5392   -2088.5392    14217.685   -14217.685 
    1800    1845.0055   -2082.9776   -2082.9776    13954.597   -13954.597 
Loop time of 0.164915 on 2 procs for 100 steps with 511 atoms

100.0% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    1800    1845.0055   -2082.9776   -2082.9776    13954.597   -13954.597 
    1817    1845.0055   -2213.3059   -2213.3059    9289.4874   -9289.4874 
Loop time of 0.021944 on 2 procs for 17 steps with 511 atoms

100.2% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 1800
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    1800    1845.0055   -2082.9776   -2082.9776    13954.597   -13954.597 
    1810    1786.2585   -2077.6923   -2077.6923    13061.826   -13061.826 
    1820    1857.3756   -2081.0525   -2081.0525    12101.123   -12101.123 
    1830    1918.6229   -2083.8844   -2083.8844    11998.481   -11998.481 
    1840    1814.2297   -2076.0614   -2076.0614    12381.261   -12381.261 
    1850    1797.1443   -2074.1897   -2074.1897    12011.866   -12011.866 
    1860    1841.4468   -2076.4633   -2076.4633    11779.858   -11779.858 
    1870    1859.9882    -2077.169    -2077.169    12457.418   -12457.418 
    1880    1837.3949   -2075.2995   -2075.2995     13130.83    -13130.83 
    1890    1860.4839   -2076.5602   -2076.5602    12975.533   -12975.533 
    1900    1842.3036   -2075.1927   -2075.1927     12321.27    -12321.27 
Loop time of 0.163481 on 2 procs for 100 steps with 511 atoms

100.0% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    1900    1842.3036   -2075.1927   -2075.1927     12321.27    -12321.27 
    1918    1842.3036   -2213.3071   -2213.3071    9267.4039   -9267.4039 
Loop time of 0.0249171 on 2 procs for 18 steps with 511 atoms

100.3% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 1900
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    1900    1842.3036   -2077.6965   -2077.6965    12171.231   -12171.231 
    1910    1824.0275   -2076.3941   -2076.3941    12769.871   -12769.871 
    1920    1863.5312     -2078.97     -2078.97    13477.615   -13477.615 
    1930    1833.5988   -2077.0209   -2077.0209    13894.285   -13894.285 
    1940    1866.0103   -2079.2503   -2079.2503    14224.715   -14224.715 
    1950    1872.5803   -2079.8489   -2079.8489    14336.597   -14336.597 
    1960    1828.8798    -2077.204    -2077.204    14285.013   -14285.013 
    1970    1834.4493   -2077.8435   -2077.8435    13605.908   -13605.908 
    1980    1867.5949   -2080.3378   -2080.3378    13500.908   -13500.908 
    1990    1900.9708   -2082.9437   -2082.9437    13203.771   -13203.771 
    2000    1846.7057   -2079.8684   -2079.8684    13038.962   -13038.962 
Loop time of 0.164872 on 2 procs for 100 steps with 511 atoms

99.8% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    2000    1846.7057   -2079.8684   -2079.8684    13038.962   -13038.962 
    2018    1846.7057    -2213.313    -2213.313    9294.7894   -9294.7894 
Loop time of 0.0250945 on 2 procs for 18 steps with 511 atoms

101.6% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 2000
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    2000    1846.7057   -2079.8684   -2079.8684    13038.962   -13038.962 
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 2000
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    2000         1800   -2083.0214   -2083.0214    12356.844   -12356.844 
    2010     1796.541   -2083.2984   -2083.2984    12200.004   -12200.004 
Loop time of 0.0161104 on 2 procs for 10 steps with 511 atoms

99.3% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    2010     1796.541   -2083.2984   -2083.2984    12200.004   -12200.004 
    2027     1796.541   -2213.3095   -2213.3095     8952.928    -8952.928 
Loop time of 0.0218184 on 2 procs for 17 steps with 511 atoms

100.8% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 2010
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    2010         1800   -2083.2984   -2083.2984     12223.76    -12223.76 
    2020    1866.2236   -2088.2088   -2088.2088    13143.892   -13143.892 
Loop time of 0.0163221 on 2 procs for 10 steps with 511 atoms

98.0% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    2020    1866.2236   -2088.2088   -2088.2088    13143.892   -13143.892 
    2037    1866.2236   -2213.3167   -2213.3167    9431.6184   -9431.6184 
Loop time of 0.0233465 on 2 procs for 17 steps with 511 atoms

102.8% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 2020
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    2020         1800   -2088.2088   -2088.2088    12689.064   -12689.064 
    2030    1840.7744   -2091.4781   -2091.4781    11873.352   -11873.352 
Loop time of 0.015955 on 2 procs for 10 steps with 511 atoms

100.3% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    2030    1840.7744   -2091.4781   -2091.4781    11873.352   -11873.352 
    2047    1840.7744   -2213.3107   -2213.3107    9250.3993   -9250.3993 
Loop time of 0.023263 on 2 procs for 17 steps with 511 atoms

101.0% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 2030
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    2030         1800   -2091.4781   -2091.4781     11593.31    -11593.31 
    2040    1774.5994   -2090.3837   -2090.3837    12527.692   -12527.692 
Loop time of 0.0156195 on 2 procs for 10 steps with 511 atoms

102.4% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    2040    1774.5994   -2090.3837   -2090.3837    12527.692   -12527.692 
    2057    1774.5994   -2213.3125   -2213.3125    8801.2805   -8801.2805 
Loop time of 0.0224586 on 2 procs for 17 steps with 511 atoms

97.9% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 2040
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    2040         1800   -2090.3837   -2090.3837    12702.145   -12702.145 
    2050    1754.8258   -2087.9592   -2087.9592    12374.555   -12374.555 
Loop time of 0.015636 on 2 procs for 10 steps with 511 atoms

95.9% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    2050    1754.8258   -2087.9592   -2087.9592    12374.555   -12374.555 
    2067    1754.8258   -2213.3071   -2213.3071    8663.5099   -8663.5099 
Loop time of 0.0219738 on 2 procs for 17 steps with 511 atoms

100.1% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 2050
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    2050         1800   -2087.9592   -2087.9592    12684.814   -12684.814 
    2060    1732.9045   -2084.0166   -2084.0166    12837.336   -12837.336 
Loop time of 0.0157635 on 2 procs for 10 steps with 511 atoms

101.5% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    2060    1732.9045   -2084.0166   -2084.0166    12837.336   -12837.336 
    2077    1732.9045   -2213.3164   -2213.3164     8516.646    -8516.646 
Loop time of 0.0228236 on 2 procs for 17 steps with 511 atoms

100.8% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 2060
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    2060         1800   -2084.0166   -2084.0166    13298.153   -13298.153 
    2070    1767.2959   -2082.3052   -2082.3052    12802.142   -12802.142 
Loop time of 0.0159905 on 2 procs for 10 steps with 511 atoms

100.0% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    2070    1767.2959   -2082.3052   -2082.3052    12802.142   -12802.142 
    2087    1767.2959   -2213.3142   -2213.3142     8751.697    -8751.697 
Loop time of 0.0221524 on 2 procs for 17 steps with 511 atoms

99.3% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 2070
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    2070         1800   -2082.3052   -2082.3052    13026.756   -13026.756 
    2080    1803.1762   -2082.9567   -2082.9567    12610.424   -12610.424 
Loop time of 0.015908 on 2 procs for 10 steps with 511 atoms

100.6% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    2080    1803.1762   -2082.9567   -2082.9567    12610.424   -12610.424 
    2096    1803.1762   -2213.3045   -2213.3045    8995.7209   -8995.7209 
Loop time of 0.0230615 on 2 procs for 16 steps with 511 atoms

97.5% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 2080
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    2080         1800   -2082.9567   -2082.9567     12588.61    -12588.61 
    2090    1768.8968   -2081.3166   -2081.3166    12584.029   -12584.029 
Loop time of 0.0162405 on 2 procs for 10 steps with 511 atoms

98.5% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    2090    1768.8968   -2081.3166   -2081.3166    12584.029   -12584.029 
    2106    1768.8968   -2213.3018   -2213.3018     8759.485    -8759.485 
Loop time of 0.0216439 on 2 procs for 16 steps with 511 atoms

97.0% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 2090
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    2090         1800   -2081.3166   -2081.3166    12797.648   -12797.648 
    2100    1798.8501   -2081.6286   -2081.6286    12456.599   -12456.599 
Loop time of 0.0162351 on 2 procs for 10 steps with 511 atoms

98.5% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    2100    1798.8501   -2081.6286   -2081.6286    12456.599   -12456.599 
    2117    1798.8501   -2213.3158   -2213.3158    8968.5283   -8968.5283 
Loop time of 0.0229766 on 2 procs for 17 steps with 511 atoms

100.1% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 2000
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    2000    1798.8501   -2081.6286   -2081.6286    12456.599   -12456.599 
    2010    1843.3065   -2084.9687   -2084.9687     13434.98    -13434.98 
    2020    1800.2374   -2082.5689   -2082.5689    13977.437   -13977.437 
    2030    1772.8491   -2081.1983   -2081.1983    13043.955   -13043.955 
    2040    1826.4833   -2085.1577   -2085.1577    11774.478   -11774.478 
    2050    1818.3834   -2085.0861   -2085.0861     11725.56    -11725.56 
    2060    1734.0566   -2079.9784   -2079.9784    12991.636   -12991.636 
    2070    1838.3814   -2087.2862   -2087.2862    13808.035   -13808.035 
    2080    1851.9328   -2088.6821   -2088.6821    12455.428   -12455.428 
    2090    1704.4903   -2079.4816   -2079.4816    12454.382   -12454.382 
    2100    1757.2871   -2083.4355   -2083.4355    12381.356   -12381.356 
Loop time of 0.161373 on 2 procs for 100 steps with 511 atoms

99.4% CPU use with 2 MPI tasks x no OpenMP threads
Setting up cg style minimization ...
  Unit style    : metal
Memory usage per processor = 6.83303 Mbytes
Step Temp PotEng c_pe Press v_press 
    2100    1757.2871   -2083.4355   -2083.4355    12381.356   -12381.356 
    2116    1757.2871   -2213.3063   -2213.3063    8686.4518   -8686.4518 
Loop time of 0.0226495 on 2 procs for 16 steps with 511 atoms

99.3% CPU use with 2 MPI tasks x no OpenMP threads
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 2100
  Time step     : 0.001
Memory usage per processor = 5.70803 Mbytes
Step Temp PotEng c_pe Press v_press 
    2100    1757.2871   -2082.5424   -2082.5424    12845.786   -12845.786 

PRD done
Loop time of 7.42888 on 2 procs for 16 steps with 511 atoms

101.9% CPU use with 2 MPI tasks x no OpenMP threads

PRD stats:
  Dephase  time (%) = 1.15508 (15.5485)
  Dynamics time (%) = 3.30214 (44.45)
  Quench   time (%) = 2.10064 (28.2767)
  Comm     time (%) = 0.413431 (5.56519)
  Output   time (%) = 0 (0)
  Other    time (%) = 0.930046 (12.5193)

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.9013     | 6.0327     | 6.1642     |   5.4 | 81.21
Neigh   | 0.08381    | 0.084967   | 0.086123   |   0.4 |  1.14
Comm    | 0.2012     | 0.33509    | 0.46898    |  23.1 |  4.51
Output  | 0.018105   | 0.018258   | 0.018411   |   0.1 |  0.25
Modify  | 0.027061   | 0.027802   | 0.028543   |   0.4 |  0.37
Other   |            | 0.93       |            |       | 12.52

Nlocal:    255.5 ave 259 max 252 min
Histogram: 1 0 0 0 0 0 0 0 0 1
Nghost:    741.5 ave 745 max 738 min
Histogram: 1 0 0 0 0 0 0 0 0 1
Neighs:    0 ave 0 max 0 min
Histogram: 2 0 0 0 0 0 0 0 0 0
FullNghs:  6727 ave 6823 max 6631 min
Histogram: 1 0 0 0 0 0 0 0 0 1

Total # of neighbors = 13454
Ave neighs/atom = 26.3288
Neighbor list builds = 95
Dangerous builds = 0
Total wall time: 0:00:07
